- 期刊
芳香族反應位向選擇與自容分子軌域中排斥鍵之關係
Relation Between Aromatic Reaction Selectivity and the Repulsive Bond of Approximate SCF MO
摘要
將ZDO(zero differential overlap)近似法及對常區間鍵結(long range bonding)如間位和對位等的斟酌，運用於原子軌域線性結合自容性電場的分子軌域（簡稱LCAO SCF MO）方法中，計算π系（Pi-System）各種特性。芳香族苯環系（如苯、萘、蒽等）中，π電子的共振及長區間鍵的排斥作用，對於其分子中長、鍵角，甚至於整個分子的結構形狀及參與化學反應時的取代位向，影響至鉅。
關鍵字
無資料並列摘要
The characteristics of system for some aromatic compounds are predicted by zero differential overlap MO treatment with all long range bonding included. The repulsive effect of long range bonding ha s a significant influence to the structure of an aromatic molecule as well as to its reaction selectivities.
並列關鍵字
無資料延伸閱讀
- 陳憲昌、陳成（1997）。半經驗分子軌域法對多環芳香烴之第一游離能及排斥鍵次計算。化學，55(4)，9-18。https://doi.org/10.6623/chem.1997042
- Tseng, C. M. (2007). 芳香族與生物分子光分解動態學的分子束研究 [doctoral dissertation, National Taiwan University]. Airiti Library. https://doi.org/10.6342/NTU.2007.03087
- Bagchi, A. (2013). 芳香族分子在分子束中及在基質輔助雷射脫附游離過程中的光誘發反應 [doctoral dissertation, National Tsing Hua University]. Airiti Library. https://doi.org/10.6843/NTHU.2013.00377
- 林琮翔（2011）。Adsorption and Thermal Reactions of Methanol and Bifunctional Molecules on Ge(100)〔碩士論文，國立臺灣師範大學〕。華藝線上圖書館。https://www.airitilibrary.com/Article/Detail?DocID=U0021-1610201315255057
- Hsu, H. H. (2019). Rapid Thermal Recrystallization and Defect Modulation of Sputtered MoTe2 [master's thesis, National Chiao Tung University]. Airiti Library. https://www.airitilibrary.com/Article/Detail?DocID=U0030-0306202016385555